| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 23 | Yes |
Popular Name: 5,6-dimethyl-2-[(4-pyrrolidin-1-ylbutylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-2-[(4-pyrrolidin-1-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.98 | 8.44 | -117.12 | 4 | 5 | 2 | 67 | 336.505 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 7.02 | -45.27 | 3 | 5 | 1 | 62 | 335.497 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 7.39 | -91.42 | 3 | 5 | 1 | 70 | 335.497 | 7 | ↓ |
